Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM245158
Substrate
n/a
Meas. Tech.
Transactivation Assay
Temperature
310.15±n/a K
IC50
68±n/a nM
Comments
extracted
Citation
 Nguyen, D; Künzer, H; Faus Gimenez, H; Bader, B; Köhr, S; Fritsch, M N-[4-(quinolin-4-yloxy)cyclohexyl(methyl)](hetero)arylcarboxamides as androgen receptor antagonists, production and use thereof as medicinal products US Patent  US9428460 Publication Date 8/30/2016 
Target
Name:
Androgen receptor
Synonyms:
ANDR_HUMAN | AR | Androgen Receptor | Androgen receptor (AR) | Androgen receptor/Baculoviral IAP repeat-containing protein 2 | DHTR | Dihydrotestosterone receptor | NR3C4 | Nuclear receptor subfamily 3 group C member 4
Type:
Receptor
Mol. Mass.:
99185.27
Organism:
Homo sapiens (Human)
Description:
CHO cells were stably transfected with human AR gene.
Residue:
920
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQQQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQSALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSADLKDILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELCKAVSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAGKSTEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQSRDYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAAGPGSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGEAGAVAPYGYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRLETARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKLTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
  
Inhibitor
Name:
BDBM245158
Synonyms:
US9428460, 14
Type:
Small organic molecule
Emp. Form.:
C23H22BrFN2O2
Mol. Mass.:
457.335
SMILES:
Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|
Structure:
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